Home > Compound List > Compound details
 molecular structure
click picture or here to close

2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

ChemBase ID: 460136
Molecular Formular: C20H28N4O
Molecular Mass: 340.46252
Monoisotopic Mass: 340.22631154
SMILES and InChIs

SMILES:
c1(N2C[C@@H]3N(CC4CC4)C[C@H](C2)CC3)c(cc2c(n1)CCC2)C(=O)N
Canonical SMILES:
NC(=O)c1cc2CCCc2nc1N1C[C@@H]2CC[C@H](C1)N(C2)CC1CC1
InChI:
InChI=1S/C20H28N4O/c21-19(25)17-8-15-2-1-3-18(15)22-20(17)24-11-14-6-7-16(12-24)23(10-14)9-13-4-5-13/h8,13-14,16H,1-7,9-12H2,(H2,21,25)/t14-,16-/m1/s1
InChIKey:
DPZNLNFTDXKSFP-GDBMZVCRSA-N

Cite this record

CBID:460136 http://www.chembase.cn/molecule-460136.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
IUPAC Traditional name
2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
Synonyms
2-[(1R*,5R*)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 32289800 external link Add to cart
Data Source Data ID Price
ChemBridge
32289800 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.058245  H Acceptors
H Donor LogD (pH = 5.5) -1.024802 
LogD (pH = 7.4) 0.45361307  Log P 2.3880997 
Molar Refractivity 99.9925 cm3 Polarizability 37.641438 Å3
Polar Surface Area 62.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.61  LOG S -3.91 
Polar Surface Area 62.46 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle